1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-

CAS Registry Number®

112259-41-3
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CAS Name

1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-

Molecular Formula

C22H22D4N2O4S

Cite this Page

1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112259-41-3 (retrieved 2024-09-19) (CAS RN: 112259-41-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1/i13D2,14D2

InChIKey

InChIKey=HSUGRBWQSSZJOP-HVXDHBPDSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@H](SC=2C(N(C(C(N(C)C)([2H])[2H])([2H])[2H])C1=O)=CC=CC2)C3=CC=C(OC)C=C3

Canonical SMILES

O=C(OC1C(=O)N(C=2C=CC=CC2SC1C3=CC=C(OC)C=C3)CCN(C)C)C

Other Names for this Substance

  • 1,5-Benzothiazepin-4(5H)-one, 3-(acetyloxy)-5-[2-(dimethylamino)ethyl-1,1,2,2-d4]-2,3-dihydro-2-(4-methoxyphenyl)-, (2S-cis)-